BioLiP

PDB

BioLiP

PDB CCD ID:

4PX

Number of entries in BioLiP:

Chemical formula:

C19 H18 N4 O3

InChI:

InChI=1S/C19H18N4O3/c1-19(2,11-24)23-15-14(21-18(23)26)13-9-6-10-20-16(13)22(17(15)25)12-7-4-3-5-8-12/h3-10,24H,11H2,1-2H3,(H,21,26)

InChIKey:

ZQRNBXXBVMUYDO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O
CACTVS 3.385	CC(C)(CO)N1C(=O)NC2=C1C(=O)N(c3ccccc3)c4ncccc24
ACDLabs 12.01	n3c2N(c1ccccc1)C(=O)C=4N(C(CO)(C)C)C(=O)NC=4c2ccc3

Name:

3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione

ZINC:

ZINC000263621355

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).